5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine

C15H17BrN2 — CID 115146736

IUPAC5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
SMILESCc1ccc(CN(C)c2ccc(Br)cn2)cc1C
InChIInChI=1S/C15H17BrN2/c1-11-4-5-13(8-12(11)2)10-18(3)15-7-6-14(16)9-17-15/h4-9H,10H2,1-3H3
InChIKeyPUSATJGRJOHBNG-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.10
Rot. Bonds3

About 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine

5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 115146736) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID115146736
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
SMILESCc1ccc(CN(C)c2ccc(Br)cn2)cc1C
InChIInChI=1S/C15H17BrN2/c1-11-4-5-13(8-12(11)2)10-18(3)15-7-6-14(16)9-17-15/h4-9H,10H2,1-3H3
InChIKeyPUSATJGRJOHBNG-UHFFFAOYSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
6-[[(5-bromo-2-pyridinyl)-methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115146791
3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
CID 75421846
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
5-bromo-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 133448669
5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 133463332
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115146924
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine (CID 115146736) is 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine is Cc1ccc(CN(C)c2ccc(Br)cn2)cc1C.
What is the InChIKey of 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is PUSATJGRJOHBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-4-5-13(8-12(11)2)10-18(3)15-7-6-14(16)9-17-15/h4-9H,10H2,1-3H3.
What are the key properties of 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine?
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 305.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 115146736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).